(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane

C12H16N2O2 — CID 97486909

IUPAC(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1cncc(O[C@H]2CO[C@]3(CCNC3)C2)c1
InChIInChI=1S/C12H16N2O2/c1-2-10(7-13-4-1)16-11-6-12(15-8-11)3-5-14-9-12/h1-2,4,7,11,14H,3,5-6,8-9H2/t11-,12-/m1/s1
InChIKeyMIAQBISZYNWVLB-VXGBXAGGSA-N
MW220.27 g/mol
LogP0.98
Rot. Bonds2

About (3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane

(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97486909) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97486909
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1cncc(O[C@H]2CO[C@]3(CCNC3)C2)c1
InChIInChI=1S/C12H16N2O2/c1-2-10(7-13-4-1)16-11-6-12(15-8-11)3-5-14-9-12/h1-2,4,7,11,14H,3,5-6,8-9H2/t11-,12-/m1/s1
InChIKeyMIAQBISZYNWVLB-VXGBXAGGSA-N
XLogP0.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420064
(3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97486953
N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131648185
[(3S)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 97488429
(3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 97395020
8-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 118745503
8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131645469
(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1H-pyrrol-2-yl)methanone
CID 118741128
8-(2-methoxyethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 134071228
(3R,5R)-7-pyrazin-2-yl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394379
(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane
CID 124938709
(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394419

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane (CID 97486909) is (3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane is c1cncc(O[C@H]2CO[C@]3(CCNC3)C2)c1.
What is the InChIKey of (3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is MIAQBISZYNWVLB-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-10(7-13-4-1)16-11-6-12(15-8-11)3-5-14-9-12/h1-2,4,7,11,14H,3,5-6,8-9H2/t11-,12-/m1/s1.
What are the key properties of (3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane?
(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 220.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97486909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).